Lefleuganan acetate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C62H102FN11O10.C2H4O2
Molecular Weight	1240.5913
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(O)=O.CC(C)C[C@H](NC(=O)[C@H](CCC1CCCCC1)NC(=O)[C@@H]2CCCN2C(=O)C3=CC=C(F)C=C3)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC4(CN(C)C)CCC4

InChI

InChIKey=FOTHMJGRWHUPHC-GGNAJHHCSA-N

InChI=1S/C62H102FN11O10.C2H4O2/c1-38(2)34-45(51(77)67-47(36-40(5)6)53(79)71-61(11,12)58(84)72-59(7,8)56(82)64-32-29-49(75)69-62(30-19-31-62)37-73(13)14)68-57(83)60(9,10)70-52(78)46(35-39(3)4)66-50(76)44(28-23-41-20-16-15-17-21-41)65-54(80)48-22-18-33-74(48)55(81)42-24-26-43(63)27-25-42;1-2(3)4/h24-27,38-41,44-48H,15-23,28-37H2,1-14H3,(H,64,82)(H,65,80)(H,66,76)(H,67,77)(H,68,83)(H,69,75)(H,70,78)(H,71,79)(H,72,84);1H3,(H,3,4)/t44-,45-,46-,47-,48-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C2H4O2
Molecular Weight	60.052
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C62H102FN11O10
Molecular Weight	1180.5394
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 11:44:03 GMT 2025` Edited by `admin` on `Wed Apr 02 11:44:03 GMT 2025`
Record UNII	LCP56P63KF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.BETA.-ALANINAMIDE, 1-(4-FLUOROBENZOYL)-L-PROLYL-(2S)-2-AMINOCYCLOHEXANEBUTANOYL-L-LEUCYL-2-METHYLALANYL-L-LEUCYL-L-LEUCYL-2-METHYLALANYL-2-METHYLALANYL-N-(1-((DIMETHYLAMINO)METHYL)CYCLOBUTYL)-, ACETATE (1:1)

Preferred Name

English

Lefleuganan acetate

Common Name

English

Classification Tree Code System Code

EU-Orphan Drug

EU/3/21/2404